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CP2K
CP2K is a quantum chemistry and solid state physics software package running on graphics processing units and thousands of processing units. It is open-source and allows simulations, spectroscopy, vibrational analysis and energy minimization on a vast variety of theory levels.
- electronic structure
- GPU
- High performance computing
- + 5
- Fortran
- C
- Python
- + 12
8
4198
Ideal-Equilibrium-Oxygen-Membrane-Reactor
The Python script OMR_model.py allows to simulate oxygen membrane reactors with continuous gas flow rates.
- Energy
- Membrane reactor
- MTET
- + 3
- Python
5
10
PeCon.py
PeCon.py is a Python-Software, that enables the calculation of the ionic and electronic conductivities of Perovskite-type ceramic materials, i.e. the conductivities within oxygen-transport ceramic membranes.
- Energy
- MTET
- open source
- + 1
1
10
micromechanics-indentationGUI
Graphical User Interface (GUI) software for analyzing nanoindentation experimental data
- Data analysis
- Data Visualization
- Energy
- + 5
- Python
4
0